%chk=000216020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216020

0 1
O -0.479684 -0.299465 2.335782
N 2.528006 -1.426531 -1.253990
C -0.535166 -0.974078 1.054365
C 0.863948 -0.660140 0.438114
C 1.083719 -1.480666 -0.853544
C -0.771160 -2.478618 1.338223
C -1.672436 -0.381379 0.229181
C 1.052656 0.833107 0.250859
C 0.232776 -3.057454 2.328288
C -2.288538 -1.108346 -0.798087
C -2.092801 0.931753 0.489779
C 1.325164 1.618362 1.386211
C 0.964884 1.456341 -1.001236
C 2.687032 -1.869014 -2.671888
C 3.370222 -2.269050 -0.353879
C -3.324524 -0.535284 -1.542398
C -3.128201 1.502394 -0.253637
C 1.513317 2.995592 1.266073
C 1.155779 2.836981 -1.119019
C -3.748840 0.768440 -1.269817
C 1.431430 3.609965 0.011349
H 1.625859 -0.993894 1.197645
H 0.470524 -1.042823 -1.674328
H 0.718409 -2.521824 -0.709754
H -1.799795 -2.612321 1.728326
H -0.734751 -3.051277 0.389242
H 0.365029 -2.390052 3.192750
H -0.095778 -4.031705 2.705459
H 1.221092 -3.193601 1.874036
H -1.305865 -0.444673 2.836842
H -1.967029 -2.122625 -1.026933
H -1.586522 1.510935 1.267785
H 1.365800 1.144467 2.368246
H 0.757910 0.865502 -1.892515
H 2.131718 -1.178357 -3.326765
H 2.354782 -2.895495 -2.881572
H 3.749836 -1.785986 -2.952682
H 4.428713 -2.127625 -0.626131
H 3.145581 -3.344586 -0.376083
H 3.256188 -1.908204 0.683042
H -3.800253 -1.106789 -2.336941
H -3.445908 2.522791 -0.045614
H 1.724916 3.592621 2.150369
H 1.090543 3.308015 -2.097364
H -4.555571 1.212707 -1.849186
H 1.582487 4.681988 -0.082305


%chk=000216020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216020

0 1
O -0.633348 -0.326295 2.394746
N 2.393529 -1.326302 -1.389206
C -0.637652 -1.020455 1.076394
C 0.821192 -0.742877 0.522087
C 1.085615 -1.586280 -0.752853
C -0.895137 -2.534674 1.355929
C -1.741089 -0.411537 0.187231
C 1.118355 0.748990 0.349133
C 0.122324 -3.193263 2.310119
C -2.409957 -1.156995 -0.820095
C -2.107049 0.949606 0.367899
C 1.581559 1.498856 1.460776
C 0.947183 1.419652 -0.888309
C 2.527617 -2.056979 -2.662991
C 3.544689 -1.536922 -0.493283
C -3.415714 -0.564009 -1.616549
C -3.113559 1.542349 -0.424669
C 1.855862 2.880452 1.347182
C 1.221731 2.799830 -1.008843
C -3.774900 0.788583 -1.421132
C 1.676606 3.538186 0.108200
H 1.479141 -1.113965 1.331354
H 0.300592 -1.375534 -1.505445
H 0.990883 -2.671081 -0.482857
H -1.911748 -2.613882 1.794044
H -0.928532 -3.105113 0.409720
H 0.235927 -2.595070 3.230804
H -0.216509 -4.206884 2.592035
H 1.119904 -3.295849 1.844754
H -1.554169 -0.370268 2.761963
H -2.159897 -2.209871 -0.988552
H -1.583637 1.539881 1.126155
H 1.703611 0.995738 2.426294
H 0.610465 0.862517 -1.767690
H 1.694413 -1.787250 -3.337445
H 2.523564 -3.171926 -2.541971
H 3.473475 -1.772891 -3.157741
H 4.479120 -1.355773 -1.053210
H 3.591384 -2.574012 -0.067982
H 3.513642 -0.817769 0.342823
H -3.920134 -1.160686 -2.385325
H -3.374483 2.595300 -0.268945
H 2.209559 3.440170 2.220968
H 1.084720 3.298021 -1.975703
H -4.556872 1.247708 -2.036502
H 1.893223 4.608674 0.012984


